Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.9285    0.9181    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224    0.6358   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958    1.1362   -0.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4879    0.3052   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -1.0189   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028   -1.8021   -0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400   -1.3099   -0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869    0.0137    0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7639    0.8083    0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2288    0.5688    0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832    0.5278   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361    1.5679    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201   -0.0189   -1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5846   -1.4476   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -2.8631   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6152   -1.9780   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8601    1.8460    0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5849    1.2812   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9457   -0.2739    0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743    1.1036    1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers